(Q105268212)

English

[1-Acetyloxy-3-butanoyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₃₁H₄₆O₈

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Statements

instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

546.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₈

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canonical SMILES

O=C(OC1OC(OC(=O)CCC)C2=CC(OC(=O)C(C)CC)CC3C21C(O)CC(C)C3(C)CCC(=C)C=C)C

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found in taxon

Casearia sylvestris var. lingua

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stated in

New cytotoxic clerodane diterpenoids from the leaves and twigs of Casearia membranacea

Identifiers

InChI

InChI=1S/C31H46O8/c1-9-12-26(34)38-28-23-16-22(37-27(35)19(5)11-3)17-24-30(8,14-13-18(4)10-2)20(6)15-25(33)31(23,24)29(39-28)36-21(7)32/h10,16,19-20,22,24-25,28-29,33H,2,4,9,11-15,17H2,1,3,5-8H3

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InChIKey

TZJHOPZZDGIPGM-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TZJHOPZZDGIPGM-UHFFFAOYSA-N

(Q105268212)

[1-Acetyloxy-3-butanoyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate

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Identifiers

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